CID 170141

38951-97-2

Structural Information

Molecular Formula
C16H16O2S2
SMILES
COC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OC)S)S
InChI
InChI=1S/C16H16O2S2/c1-17-13-7-3-11(4-8-13)15(19)16(20)12-5-9-14(18-2)10-6-12/h3-10,19-20H,1-2H3
InChIKey
JJSCUOFRMNDKNW-UHFFFAOYSA-N
Compound name
1,2-bis(4-methoxyphenyl)ethene-1,2-dithiol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

26
Patents

304.05917 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.06645 166.2
[M+Na]+ 327.04839 173.5
[M-H]- 303.05189 172.7
[M+NH4]+ 322.09299 181.9
[M+K]+ 343.02233 168.3
[M+H-H2O]+ 287.05643 159.0
[M+HCOO]- 349.05737 177.7
[M+CH3COO]- 363.07302 202.6
[M+Na-2H]- 325.03384 165.2
[M]+ 304.05862 170.6
[M]- 304.05972 170.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe